(2S)-4-[(5-fluoroquinolin-8-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine

C17H16FN3OS — CID 95156767

IUPAC(2S)-4-[(5-fluoroquinolin-8-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine
SMILESFc1ccc(CN2CCO[C@H](c3nccs3)C2)c2ncccc12
InChIInChI=1S/C17H16FN3OS/c18-14-4-3-12(16-13(14)2-1-5-19-16)10-21-7-8-22-15(11-21)17-20-6-9-23-17/h1-6,9,15H,7-8,10-11H2/t15-/m0/s1
InChIKeyIKZDKVCQCITCMI-HNNXBMFYSA-N
MW329.40 g/mol
LogP3.40
Rot. Bonds3

About (2S)-4-[(5-fluoroquinolin-8-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine

(2S)-4-[(5-fluoroquinolin-8-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine (PubChem CID 95156767) has the molecular formula C17H16FN3OS and a molecular weight of 329.40 g/mol. Its IUPAC name is (2S)-4-[(5-fluoroquinolin-8-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine.

Molecular Properties

Compound Name(2S)-4-[(5-fluoroquinolin-8-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine
PubChem CID95156767
Molecular FormulaC17H16FN3OS
Molecular Weight329.40 g/mol
Exact Mass329.10
IUPAC Name(2S)-4-[(5-fluoroquinolin-8-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine
SMILESFc1ccc(CN2CCO[C@H](c3nccs3)C2)c2ncccc12
InChIInChI=1S/C17H16FN3OS/c18-14-4-3-12(16-13(14)2-1-5-19-16)10-21-7-8-22-15(11-21)17-20-6-9-23-17/h1-6,9,15H,7-8,10-11H2/t15-/m0/s1
InChIKeyIKZDKVCQCITCMI-HNNXBMFYSA-N
XLogP3.40
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(5-fluoroquinolin-8-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine?
The IUPAC name of (2S)-4-[(5-fluoroquinolin-8-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine (CID 95156767) is (2S)-4-[(5-fluoroquinolin-8-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine.
What is the SMILES notation for (2S)-4-[(5-fluoroquinolin-8-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine?
The canonical SMILES for (2S)-4-[(5-fluoroquinolin-8-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine is Fc1ccc(CN2CCO[C@H](c3nccs3)C2)c2ncccc12.
What is the InChIKey of (2S)-4-[(5-fluoroquinolin-8-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine?
The InChIKey is IKZDKVCQCITCMI-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H16FN3OS/c18-14-4-3-12(16-13(14)2-1-5-19-16)10-21-7-8-22-15(11-21)17-20-6-9-23-17/h1-6,9,15H,7-8,10-11H2/t15-/m0/s1.
What are the key properties of (2S)-4-[(5-fluoroquinolin-8-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine?
(2S)-4-[(5-fluoroquinolin-8-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine has a molecular weight of 329.40 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(5-fluoroquinolin-8-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine is sourced from PubChem (CID 95156767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).